Magnesium in PDB 3tvb: A Highly Symmetric Dna G-4 Quadruplex/Drug Complex

The structure of A Highly Symmetric Dna G-4 Quadruplex/Drug Complex, PDB code: 3tvb was solved by G.R.Clark, P.D.Pytel, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.08
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	40.209, 40.209, 49.831, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.2

The structure of A Highly Symmetric Dna G-4 Quadruplex/Drug Complex also contains other interesting chemical elements:

Sodium

(Na)

8 atoms

The binding sites of Magnesium atom in the A Highly Symmetric Dna G-4 Quadruplex/Drug Complex (pdb code 3tvb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the A Highly Symmetric Dna G-4 Quadruplex/Drug Complex, PDB code: 3tvb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the A Highly Symmetric Dna G-4 Quadruplex/Drug Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Highly Symmetric Dna G-4 Quadruplex/Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg21 b:48.4 occ:0.06 O B:HOH111 2.0 39.0 0.2 NA B:NA19 3.7 55.9 0.2 O B:HOH110 4.2 18.6 0.2 O B:HOH109 4.2 37.3 0.8

Magnesium binding site 2 out of 2 in the A Highly Symmetric Dna G-4 Quadruplex/Drug Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Highly Symmetric Dna G-4 Quadruplex/Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg22 b:17.0 occ:0.25 O B:HOH102 2.1 46.1 1.0 O B:HOH106 2.4 40.7 0.2 O6 B:DG5 3.2 7.0 1.0 NA B:NA16 3.7 5.7 0.2 C2 B:DM112 3.9 8.9 1.0 C6 B:DG5 4.0 6.5 1.0 N1 B:DG5 4.2 6.7 1.0 C1 B:DM112 4.2 7.8 1.0 C3 B:DM112 4.9 7.9 1.0

G.R.Clark, P.D.Pytel, C.J.Squire. The High-Resolution Crystal Structure of A Parallel Intermolecular Dna G-4 Quadruplex/Drug Complex Employing Syn Glycosyl Linkages. Nucleic Acids Res. V. 40 5731 2012.
ISSN: ISSN 0305-1048
PubMed: 22373921
DOI: 10.1093/NAR/GKS193